[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine

C11H17N3O2S — CID 106905922

IUPAC[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S/c12-8-10-2-1-3-11(13-10)9-14-4-6-17(15,16)7-5-14/h1-3H,4-9,12H2
InChIKeyIOMGCQHMCZKMAX-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.23
Rot. Bonds3

About [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine

[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 106905922) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine
PubChem CID106905922
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(CN2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S/c12-8-10-2-1-3-11(13-10)9-14-4-6-17(15,16)7-5-14/h1-3H,4-9,12H2
InChIKeyIOMGCQHMCZKMAX-UHFFFAOYSA-N
XLogP-0.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine (CID 106905922) is [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine is NCc1cccc(CN2CCS(=O)(=O)CC2)n1.
What is the InChIKey of [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is IOMGCQHMCZKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-8-10-2-1-3-11(13-10)9-14-4-6-17(15,16)7-5-14/h1-3H,4-9,12H2.
What are the key properties of [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine?
[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 255.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106905922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).